8jnq - Revision history

OCA at 12:33, 20 December 2023

OCA — Wed, 20 Dec 2023 12:33:28 GMT

←Older revision		Revision as of 12:33, 20 December 2023
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 8jnq is ~~ON HOLD until Paper~~ Publication	+	==Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRRL B-3889, in complex with a substrate compound c==
		+	<StructureSection load='8jnq' size='340' side='right'caption='[[8jnq]], [[Resolution\|resolution]] 2.00Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[8jnq]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_torulosus Streptomyces torulosus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8JNQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8JNQ FirstGlance]. <br>
		+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 2Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EIU:(1Z,3E,5E,7S,8R,10S,11R,13R,15R,16E,18E,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.09,13.08,15]octacosa-1(2),3,5,16,18-pentaene-20,27,28-trione'>EIU</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr>
		+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=8jnq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8jnq OCA], [https://pdbe.org/8jnq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8jnq RCSB], [https://www.ebi.ac.uk/pdbsum/8jnq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8jnq ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Regio- and chemoselective C-H activation at multi-positions of a single molecule is fascinating but chemically challenging. The homologous cytochrome P450 enzymes IkaD and CftA catalyze multiple C-H oxidations on the same polycyclic tetramate macrolactam (PoTeM) ikarugamycin, with distinct regio- and chemoselectivity. Herein we provide mechanistic understanding of their functional differences by solving crystal structures of IkaD and CftA in complex with ikarugamycin and unnatural substrates. Distinct conformations of the F/G region in IkaD and CftA are found to differentiate the orientation of PoTeM substrates, by causing different binding patterns with polar moieties to determine site selection, oxidation order, and chemoselectivity. Fine-tuning the polar subpocket altered the regioselectivity of IkaD, indicating that substrate re-orientation by mutating residues distal to the oxidation site could serve as an important method in future engineering of P450 enzymes.

-	~~Authors: Jiang~~, P., Zhang~~, L.P.~~, Zhang, C.S.	+	A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.,Jiang P, Jin H, Zhang G, Zhang W, Liu W, Zhu Y, Zhang C, Zhang L Angew Chem Int Ed Engl. 2023 Nov 2:e202310728. doi: 10.1002/anie.202310728. PMID:37917570<ref>PMID:37917570</ref>

-	~~Description: Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRRL B-3889~~, ~~in complex with~~ a ~~substrate compound c~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
-	[[Category: ~~Zhang, C.S~~]]	+	<div class="pdbe-citations 8jnq" style="background-color:#fffaf0;"></div>
-	[[Category: Jiang, P]]	+	== References ==
-	[[Category: Zhang~~, L.P~~]]	+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Streptomyces torulosus]]
		+	[[Category: Jiang P]]
		+	[[Category: Zhang CS]]
		+	[[Category: Zhang LP]]

OCA at 05:34, 22 November 2023

OCA — Wed, 22 Nov 2023 05:34:05 GMT

←Older revision		Revision as of 05:34, 22 November 2023
Line 1:		Line 1:
		+	'''Unreleased structure'''

-	~~==Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRRL B-3889, in complex with a substrate compound c==~~	+	The entry 8jnq is ON HOLD until Paper Publication
-	~~<StructureSection load='~~8jnq~~' size='340' side='right'caption='[[8jnq]], [[Resolution\|resolution]] 2.00Å' scene=''>~~	+
-	~~== Structural highlights ==~~	+
-	~~<table><tr><td colspan='2'>[[8jnq]]~~ is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_torulosus Streptomyces torulosus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8JNQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8JNQ FirstGlance]. <br>	+
-	~~</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 2Å</td></tr>~~	+
-	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EIU:(1Z,3E,5E,7S,8R,10S,11R,13R,15R,16E,18E,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.09,13.08,15]octacosa-1(2),3,5,16,18-pentaene-20,27,28-trione'>EIU</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr>	+
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=8jnq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8jnq OCA], [https://pdbe.org/8jnq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8jnq RCSB], [https://www.ebi.ac.uk/pdbsum/8jnq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8jnq ProSAT]</span></td></tr>	+
-	~~</table>~~	+
-	~~<div style="background-color:#fffaf0;">~~	+
-	== Publication ~~Abstract from PubMed ==~~	+
-	Regio- and chemoselective C-H activation at multi-positions of a single molecule is fascinating but chemically challenging. The homologous cytochrome P450 enzymes IkaD and CftA catalyze multiple C-H oxidations on the same polycyclic tetramate macrolactam (PoTeM) ikarugamycin, with distinct regio- and chemoselectivity. Herein we provide mechanistic understanding of their functional differences by solving crystal structures of IkaD and CftA in complex with ikarugamycin and unnatural substrates. Distinct conformations of the F/G region in IkaD and CftA are found to differentiate the orientation of PoTeM substrates, by causing different binding patterns with polar moieties to determine site selection, oxidation order, and chemoselectivity. Fine-tuning the polar subpocket altered the regioselectivity of IkaD, indicating that substrate re-orientation by mutating residues distal to the oxidation site could serve as an important method in future engineering of P450 enzymes.	+

-	~~A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.~~,~~Jiang~~ P~~, Jin H~~, Zhang G, Zhang W, ~~Liu W, Zhu Y, Zhang~~ C~~, Zhang L Angew Chem Int Ed Engl~~. ~~2023 Nov 2:e202310728~~. ~~doi: 10.1002/anie.202310728. PMID:37917570<ref>PMID:37917570</ref>~~	+	Authors: Jiang, P., Zhang, L.P., Zhang, C.S.

-	~~From MEDLINE®/PubMed®~~, a ~~database of the U.S. National Library of Medicine.<br>~~	+	Description: Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRRL B-3889, in complex with a substrate compound c
-	~~</div>~~	+	[[Category: Unreleased Structures]]
-	~~<div class="pdbe-citations 8jnq" style="background-color:#fffaf0;"></div>~~	+	[[Category: Zhang, C.S]]
-	~~== References ==~~	+	[[Category: Jiang, P]]
-	~~<references/>~~	+	[[Category: Zhang, L.P]]
-	~~__TOC__~~	+
-	~~</StructureSection>~~	+
-	[[Category: ~~Large~~ Structures]]	+
-	[[Category: ~~Streptomyces torulosus~~]]	+
-	[[Category: Jiang P]]	+
-	[[Category: Zhang ~~CS]]~~	+
-	~~[[Category: Zhang LP~~]]	+

OCA at 07:38, 15 November 2023

OCA — Wed, 15 Nov 2023 07:38:05 GMT

←Older revision		Revision as of 07:38, 15 November 2023
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 8jnq is ~~ON HOLD until Paper~~ Publication	+	==Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRRL B-3889, in complex with a substrate compound c==
		+	<StructureSection load='8jnq' size='340' side='right'caption='[[8jnq]], [[Resolution\|resolution]] 2.00Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[8jnq]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_torulosus Streptomyces torulosus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8JNQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8JNQ FirstGlance]. <br>
		+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 2Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EIU:(1Z,3E,5E,7S,8R,10S,11R,13R,15R,16E,18E,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.09,13.08,15]octacosa-1(2),3,5,16,18-pentaene-20,27,28-trione'>EIU</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr>
		+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=8jnq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8jnq OCA], [https://pdbe.org/8jnq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8jnq RCSB], [https://www.ebi.ac.uk/pdbsum/8jnq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8jnq ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Regio- and chemoselective C-H activation at multi-positions of a single molecule is fascinating but chemically challenging. The homologous cytochrome P450 enzymes IkaD and CftA catalyze multiple C-H oxidations on the same polycyclic tetramate macrolactam (PoTeM) ikarugamycin, with distinct regio- and chemoselectivity. Herein we provide mechanistic understanding of their functional differences by solving crystal structures of IkaD and CftA in complex with ikarugamycin and unnatural substrates. Distinct conformations of the F/G region in IkaD and CftA are found to differentiate the orientation of PoTeM substrates, by causing different binding patterns with polar moieties to determine site selection, oxidation order, and chemoselectivity. Fine-tuning the polar subpocket altered the regioselectivity of IkaD, indicating that substrate re-orientation by mutating residues distal to the oxidation site could serve as an important method in future engineering of P450 enzymes.

-	~~Authors: Jiang~~, P., Zhang~~, L.P.~~, Zhang, C.S.	+	A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.,Jiang P, Jin H, Zhang G, Zhang W, Liu W, Zhu Y, Zhang C, Zhang L Angew Chem Int Ed Engl. 2023 Nov 2:e202310728. doi: 10.1002/anie.202310728. PMID:37917570<ref>PMID:37917570</ref>

-	~~Description: Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRRL B-3889~~, ~~in complex with~~ a ~~substrate compound c~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
-	[[Category: ~~Zhang, C.S~~]]	+	<div class="pdbe-citations 8jnq" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Zhang, L.~~P]]	+	== References ==
-	[[Category: ~~Jiang, P~~]]	+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Streptomyces torulosus]]
		+	[[Category: Jiang P]]
		+	[[Category: Zhang CS]]
		+	[[Category: Zhang LP]]

OCA at 04:38, 19 July 2023

OCA — Wed, 19 Jul 2023 04:38:03 GMT

←Older revision		Revision as of 04:38, 19 July 2023
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 8jnq is ON HOLD	+	The entry 8jnq is ON HOLD until Paper Publication

	Authors: Jiang, P., Zhang, L.P., Zhang, C.S.		Authors: Jiang, P., Zhang, L.P., Zhang, C.S.
Line 8:		Line 8:
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: Zhang, C.S]]		[[Category: Zhang, C.S]]
-	[[Category: Jiang, P]]
	[[Category: Zhang, L.P]]		[[Category: Zhang, L.P]]
		+	[[Category: Jiang, P]]

OCA: Protected "8jnq" [edit=sysop:move=sysop]

OCA — Wed, 14 Jun 2023 06:28:20 GMT

Protected "8jnq" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:28, 14 June 2023

OCA: New page: '''Unreleased structure''' The entry 8jnq is ON HOLD Authors: Jiang, P., Zhang, L.P., Zhang, C.S. Description: Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRR...

OCA — Wed, 14 Jun 2023 06:28:19 GMT

New page: '''Unreleased structure''' The entry 8jnq is ON HOLD Authors: Jiang, P., Zhang, L.P., Zhang, C.S. Description: Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRR...

New page

'''Unreleased structure'''

The entry 8jnq is ON HOLD

Authors: Jiang, P., Zhang, L.P., Zhang, C.S.

Description: Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRRL B-3889, in complex with a substrate compound c
[[Category: Unreleased Structures]]
[[Category: Zhang, C.S]]
[[Category: Jiang, P]]
[[Category: Zhang, L.P]]